CID 71757384

Tert-butyl n-[(5-acetyl-6-methylpyridin-2-yl)methyl]carbamate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC1=C(C=CC(=N1)CNC(=O)OC(C)(C)C)C(=O)C
InChI
InChI=1S/C14H20N2O3/c1-9-12(10(2)17)7-6-11(16-9)8-15-13(18)19-14(3,4)5/h6-7H,8H2,1-5H3,(H,15,18)
InChIKey
VYLMXAGMXNQEFV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-acetyl-6-methylpyridin-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.0
[M+Na]+ 287.13662 168.9
[M-H]- 263.14012 164.6
[M+NH4]+ 282.18122 177.5
[M+K]+ 303.11056 167.5
[M+H-H2O]+ 247.14466 155.2
[M+HCOO]- 309.14560 182.2
[M+CH3COO]- 323.16125 200.7
[M+Na-2H]- 285.12207 165.1
[M]+ 264.14685 165.2
[M]- 264.14795 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.